(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one

C11H21N3O — CID 98084178

IUPAC(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CC[C@@]2(CC[C@@H](N)C2)C1
InChIInChI=1S/C11H21N3O/c1-8(12)10(15)14-5-4-11(7-14)3-2-9(13)6-11/h8-9H,2-7,12-13H2,1H3/t8-,9+,11+/m0/s1
InChIKeyLJZPIHKVFRNITN-IQJOONFLSA-N
MW211.31 g/mol
LogP0.06
Rot. Bonds1

About (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one

(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one (PubChem CID 98084178) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one
PubChem CID98084178
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CC[C@@]2(CC[C@@H](N)C2)C1
InChIInChI=1S/C11H21N3O/c1-8(12)10(15)14-5-4-11(7-14)3-2-9(13)6-11/h8-9H,2-7,12-13H2,1H3/t8-,9+,11+/m0/s1
InChIKeyLJZPIHKVFRNITN-IQJOONFLSA-N
XLogP0.06
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373055
(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one
CID 98083841
(2S)-2-amino-1-[(5R,8R)-8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 98084168
2-amino-1-[8-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 71633303
(2S)-2-amino-1-[(5S,8S)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373046
(2S)-2-amino-1-[(5R,8S)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373047
2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid
CID 71633299
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238
2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone
CID 97168946
1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone
CID 97168789
(2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride
CID 130927327
(2S)-2-amino-3-methyl-1-[(5S,8R)-8-(sulfanylmethyl)-2-azaspiro[4.4]nonan-2-yl]butan-1-one
CID 98083835

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one (CID 98084178) is (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one is C[C@H](N)C(=O)N1CC[C@@]2(CC[C@@H](N)C2)C1.
What is the InChIKey of (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one?
The InChIKey is LJZPIHKVFRNITN-IQJOONFLSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(12)10(15)14-5-4-11(7-14)3-2-9(13)6-11/h8-9H,2-7,12-13H2,1H3/t8-,9+,11+/m0/s1.
What are the key properties of (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one?
(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one has a molecular weight of 211.31 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one is sourced from PubChem (CID 98084178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).